6KU
Summary
| Name: | heptyl 4-deoxy-4-deoxy-alpha-D-mannopyranoside |
| Synonyms: | 4-Deoxy-Heptylmannoside heptyl 4-deoxy-4-deoxy-alpha-D-mannoside; heptyl 4-deoxy-4-deoxy-D-mannoside; heptyl 4-deoxy-4-deoxy-mannoside |
| Formula: | C13 H26 O5 |
| Formal charge: | 0 |
| Formula weight: | 262.343 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (2~{S},3~{S},4~{S},6~{S})-2-heptoxy-6-(hydroxymethyl)oxane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H26O5/c1-2-3-4-5-6-7-17-13-12(16)11(15)8-10(9-14)18-13/h10-16H,2-9H2,1H3/t10-,11-,12-,13-/m0/s1 |
| InChIKey | InChI | 1.03 | JEMWDTFNPZXRJX-CYDGBPFRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCO[C@H]1O[C@H](CO)C[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CCCCCCCO[CH]1O[CH](CO)C[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCCCCCCO[C@@H]1[C@H]([C@H](C[C@H](O1)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCCCCCCOC1C(C(CC(O1)CO)O)O |
